disodium (1,5-dibenzamido-10-sulfooxy-anthracen-9-yl) hydrogen sulfate

Systemtic Name: disodium (1,5-dibenzamido-10-sulfooxy-anthracen-9-yl) hydrogen sulfate Openeye Name: disodium (1,5-dibenzamido-10-sulfooxy-9-anthryl) hydrogen sulfate CAS Name: disodium sulfuric acid (1,5-dibenzamido-10-sulfooxy-9-anthracenyl) ester IUPAC Name: disodium (1,5-dibenzamido-10-sulfooxyanthracen-9-yl) hydrogen sulfate Traditional Name: disodium sulfuric acid (1,5-dibenzamido-10-sulfoxy-9-anthryl) ester Formula: C28H20N2Na2O10S2+2 MolecularWeight: 654.57534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=C4C=CC=C(C4=C3OS(=O)(=O)O)NC(=O)C5=CC=CC=C5)OS(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=C4C=CC=C(C4=C3OS(=O)(=O)O)NC(=O)C5=CC=CC=C5)OS(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C28H20N2O10S2.2Na/c31-27(17-9-3-1-4-10-17)29-21-15-7-13-19-23(21)25(39-41(33,34)35)20-14-8-16-22(24(20)26(19)40-42(36,37)38)30-28(32)18-11-5-2-6-12-18;;/h1-16H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38);;/q;2*+1